ChemSpider 2D Image | (3R)-3-Ammonio-2,2-difluoro-3-phenylpropanoate | C9H9F2NO2

(3R)-3-Ammonio-2,2-difluoro-3-phenylpropanoate

  • Molecular FormulaC9H9F2NO2
  • Average mass201.170 Da
  • Monoisotopic mass201.060135 Da
  • ChemSpider ID23315603

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(3R)-3-Ammonio-2,2-difluor-3-phenylpropanoat [German] [ACD/IUPAC Name]
(3R)-3-Ammonio-2,2-difluoro-3-phenylpropanoate [ACD/IUPAC Name]
(3R)-3-Ammonio-2,2-difluoro-3-phénylpropanoate [French] [ACD/IUPAC Name]
Benzenepropanoic acid, β-amino-α,α-difluoro-, (βR)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density:
Boiling Point: 317.4±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 59.0±3.0 kJ/mol
Flash Point: 145.8±27.9 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.24
ACD/LogD (pH 5.5): -1.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.55
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 68 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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